3-[1,3-benzothiazol-2-ylcarbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-ylcarbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazole-2-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-benzothiazol-2-yl(oxo)methyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazole-2-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazole-2-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H25N4OS2+ MolecularWeight: 425.5901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H24N4OS2/c1-14-10-11-18-19(15(14)2)24-22(29-18)26(13-7-12-25(3)4)21(27)20-23-16-8-5-6-9-17(16)28-20/h5-6,8-11H,7,12-13H2,1-4H3/p+1